N-[(3-chlorophenyl)methyl]-2-[2-(phenylsulfonyl)ethylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-[(3-chlorophenyl)methyl]-2-[2-(phenylsulfonyl)ethylsulfanyl]pyridine-3-carboxamide Openeye Name: 2-[2-(benzenesulfonyl)ethylsulfanyl]-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide CAS Name: 2-[2-(benzenesulfonyl)ethylthio]-N-[(3-chlorophenyl)methyl]-3-pyridinecarboxamide IUPAC Name: 2-[2-(benzenesulfonyl)ethylsulfanyl]-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide Traditional Name: 2-(2-besylethylthio)-N-(3-chlorobenzyl)nicotinamide Formula: C21H19ClN2O3S2 MolecularWeight: 446.97016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CCSC2=C(C=CC=N2)C(=O)NCC3=CC(=CC=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CCSC2=C(C=CC=N2)C(=O)NCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H19ClN2O3S2/c22-17-7-4-6-16(14-17)15-24-20(25)19-10-5-11-23-21(19)28-12-13-29(26,27)18-8-2-1-3-9-18/h1-11,14H,12-13,15H2,(H,24,25)